SCHEMBL1237970

SCHEMBL1237970

C=C(C)N.CC(C)CCC(=O)O.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.44

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ ALDH1A1 P00352 6/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ ACR P10323 1/20 0.36
▸ TBXAS1 P24557 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MCL1 Q07820 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Glutamic Acid SCHEMBL5196110 0.79 SLC1A3 (0.53) CYP2D6MAPK1ALDH1A1KMT2ACYP1A2
Glutamic Acid SCHEMBL1873097 0.79 SLC1A3 (0.53) CYP2D6MAPK1ALDH1A1KMT2ACYP1A2
D-Glutamate SCHEMBL5196106 0.79 SLC1A3 (0.53) CYP2D6MAPK1ALDH1A1KMT2ACYP1A2
SCHEMBL7815656 0.78 POLB (0.43) CYP2D6MAPK1ALDH1A1KMT2ACYP1A2
Succinic Acid SCHEMBL27928187 0.77 KMT2A (0.53) CYP2D6MAPK1ALDH1A1KDM4EKMT2A
Succinic Acid SCHEMBL11462893 0.77 KMT2A (0.53) CYP2D6MAPK1ALDH1A1KDM4EKMT2A
Succinic Acid SCHEMBL27928188 0.77 KMT2A (0.53) CYP2D6MAPK1ALDH1A1KDM4EKMT2A
Beta-Alanine SCHEMBL18230715 0.76 CYP2D6 (0.49) CYP2D6MAPK1ALDH1A1KDM4EKMT2A
Isoamylamine SCHEMBL16971287 0.76 CYP2D6 (0.46) CYP2D6MAPK1ALDH1A1KDM4EKMT2A
Adipic Acid SCHEMBL5313716 0.76 ALDH1A1 (0.50) MAPK1ALDH1A1KDM4EKMT2ACYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1676556-B1 Cosmetic composition containing a polyorganosiloxane polymer OREAL (FR) 2012-01-11 — — EP disclosed
US-20110189117-A1 COSMETIC COMPOSITION CONTAINING A POLYORGANISILOXANE POLYMER L'OREAL (FR) 2011-08-04 — — US disclosed
US-7879316-B2 Mixture of polyamide-siloxane copolymer in volatile oil; cosmetics L'OREAL (FR) 2011-02-01 — — US disclosed
US-7803356-B2 Compositions containing at least one silicone resin and a volatile non-cyclic silicone oil L'OREAL (FR) 2010-09-28 — — US disclosed
US-7758848-B2 Cosmetic composition containing a polyorganosiloxane polymer L'OREAL (FR) 2010-07-20 — — US disclosed
EP-1676556-A2 Cosmetic composition containing a polyorganosiloxane polymer L'OREAL (FR) 2006-07-05 — — EP disclosed
US-20060110345-A1 Cosmetic composition containing a polyorganosiloxane polymer L'OREAL (FR) 2006-05-25 — — US disclosed
US-20050158260-A1 Cosmetic composition containing a polyorganosiloxane polymer L'OREAL (FR) 2005-07-21 — — US disclosed
US-20050142089-A1 Compositions containing at least one silicone resin and a volatile non-cyclic silicone oil L'OREL (FR) 2005-06-30 — — US disclosed
US-20040223987-A1 Composition structured with a polymer containing a heteroatom and organogelator L'OREAL S.A. (FR) 2004-11-11 — — US disclosed
US-20040170586-A1 Cosmetic composition containing a polyorganosiloxane polymer L'OREAL (FR) 2004-09-02 — — US disclosed
EP-1294342-A2 COMPOSITION STRUCTURED WITH A POLYMER CONTAINING AHETEROATOM AND AN ORGANOGELATOR L'OREAL (FR) 2003-03-26 — — EP disclosed
WO-2002055030-A2 COMPOSITION STRUCTURED WITH A POLYMER CONTAINING A HETEROATOM AND ORGANOGELATOR OREAL (FR) 2002-07-18 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050142089-A1 Compositions containing at least one silicone resin and a volatile non-cyclic silicone oil RXRA, REV1, RXRG CYP2D6 4715/4885MAPK1 3349/4885ALDH1A1 4295/4885
US-20040223987-A1 Composition structured with a polymer containing a heteroatom and organogelator CUTA, PARG, FABP4 CYP2D6 1090/4885MAPK1 4790/4885ALDH1A1 1802/4885
US-20040170586-A1 Cosmetic composition containing a polyorganosiloxane polymer CUTA, XPA, PRDX1 CYP2D6 1796/4885MAPK1 4476/4885ALDH1A1 435/4885
US-20110189117-A1 COSMETIC COMPOSITION CONTAINING A POLYORGANISILOXANE POLYMER CUTA, PRDX1, PRXL2A CYP2D6 1091/4885MAPK1 4520/4885ALDH1A1 341/4885
US-20060110345-A1 Cosmetic composition containing a polyorganosiloxane polymer CUTA, MITF, SQLE CYP2D6 3596/4885MAPK1 4298/4885ALDH1A1 2403/4885
US-20050158260-A1 Cosmetic composition containing a polyorganosiloxane polymer SQLE, CUTA, FDFT1 CYP2D6 1624/4885MAPK1 4082/4885ALDH1A1 1843/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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